| Identification | Back Directory | [Name]
Isoxazole, 5-Methyl-3,4-diphenyl- (Parecoxib sodiuM inteMediate) | [CAS]
37928-17-9 | [Synonyms]
5-Methyl-3
CAS:37928-17-9
Parecoxib Sodium-4
5-Methyl-3,4-diphenyl
Parecoxib Related Compound
3,4-Diphenyl-5-methylisoxazole
5-Methyl-3,4-diphenylisoxazole
Parecoxib SodiuM interMediate A
Parecoxib SodiuM iMpurity PR-SM
Isoxazole, 5-Methyl-3,4-diphenyl-
5-Methyl-3,4-diphenyl-1,2-oxazole
Parecoxib Impurity 19 (Desulfonamide)
Valdecoxib Impurity 10 (Desulfonamide)
4-diphenyl-(Parecoxib sodiuM inteMediate)
PARECOXIB SODIUM CAS 198470-85-8 INTERMEDIATES
Parecoxib impurity 5/5-methyl-3,4-diphenylisoxazole
5-Methyl-3,4-diphenyl- (Parecoxib sodiuM inteMediate)
Parecoxib InterMediate (5-Mehyl-3,4-Diphenylisoxazole)
Parecoxib intermediates，5-Methyl-3,4-diphenylisoxazole
Parecoxib Impurity 19 (Valdecoxib Impurity 10 (Desulfonamide))
Valdecoxib Impurity 10 (Desulfonamide) (Parecoxib Impurity 19)
lsoxazole,5-Methyl-3,4-diphenyl-(Parecoxib sodiuM inteMediate)
Isoxazole, 5-Methyl-3,4-diphenyl- (Parecoxib sodiuM inteMediate)
Isoxazole, 5-Methyl-3,4-diphenyl- (Parecoxib sodiuM intermediate)
3-Phenyl-4-(4-aMinosulfonylbenzyl)-5-Methylisoxazole,Valdecoxib IMpurity A
Isoxazole, 5-Methyl-3,4-diphenyl- (Parecoxib sodiuM inteMediate) ISO 9001：2015 REACH | [EINECS(EC#)]
1592732-453-0 | [Molecular Formula]
C16H13NO | [MDL Number]
MFCD18449672 | [MOL File]
37928-17-9.mol | [Molecular Weight]
235.281 |
| Chemical Properties | Back Directory | [Melting point ]
96.0 to 100.0 °C | [Boiling point ]
340.1±21.0 °C(Predicted) | [density ]
1.108±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
-2.53±0.50(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)16(17-18-12)14-10-6-3-7-11-14/h2-11H,1H3 | [InChIKey]
ZXIRUKJWLADSJS-UHFFFAOYSA-N | [SMILES]
O1C(C)=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 | [HS Code ]
2934.99.4400 |
| Hazard Information | Back Directory | [Uses]
5-Methyl-3,4-diphenylisoxazole is a reagent for the preparation of valdecoxib and valdecoxib analogues. | [Uses]
5-Methyl-3,4-diphenylisoxazole is synthesis The key intermediate of Parecoxib Sodium (Parecoxib Sodium).Parecoxib Sodium is by the Pfizer of the U.S. The cox 2 inhibitor of company's research and development, listed in European Union in 2002, trade name Dynastat, is used for The short term therapy of postoperative pain. | [Synthesis]
In four mouthfuls of round-bottomed flasks of a 1L add compound 2 (40g), methanol (400mL), 7.7% Aqueous sodium carbonate (400mL), is heated to 70 DEG C, after stirring reaction 2h, and TLC plate monitoring raw material Fundamental reaction is complete, and solution is divided into solid-liquid biphase, is extracted with ethyl acetate, collected organic layer, with anhydrous Sodium sulfate is dried, and vacuum obtains white solid, HPLC purity: 94.9% after being spin-dried for.White solid uses 40ml ethyl acetate and the mixed solvent recrystallization of 120ml normal hexane (1:3) again, Obtaining target compound is white solid 34.2g, yield 92%, HPLC purity: 99.7%.m.p.97-98??￡? MS(m/z):236(M+H)+￡?1H NMR(400MHz,CDCl3) |?:2.43(s,3H,-CH3), 7.19-7.43 (m, 10H ,-CH=). | [References]
[1] Patent: CN105949141, 2016, A. Location in patent: Paragraph 0016; 0021; 0022; 0023; 0025; 0027; 0029-0041
[2] Patent: CN104193694, 2016, B. Location in patent: Paragraph 0029; 0030; 0031 |
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Alfa Aesar
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400-6106006 |
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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China Langchem Inc.
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0086-21-58956006 |
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